CL(a-13:0/i-18:0/i-13:0/a-25:0)[rac]

Properties Image MNX_ID MNXM1109101 reference hmdb:HMDB0082949 formula C78H152O17P2 global charge 0 mol weight 1424.005 InChIKey WUAPDEUSZOVZSV-OPOWQSLMSA-N InChI InChI=1S/C78H152O17P2/c1-9-70(7)56-48-40-32-26-22-17-15-13-11-12-14-16-18-23-27-33-44-52-60-77(82)94-73(64-88-75(80)58-50-42-35-29-31-39-47-55-69(5)6)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-37-36-41-49-57-71(8)10-2)95-78(83)61-53-45-34-28-24-20-19-21-25-30-38-46-54-68(3)4/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t70?,71?,72-,73-,74-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C78H152O17P2/c1-9-70(7)56-48-40-32-26-22-17-15-13-11-12-14-16-18-23-27-33-44-52-60-77(82)94-73(64-88-75(80)58-50-42-35-29-31-39-47-55-69(5)6)66-92-96(84,85)90-62-72(79)63-91-97(86,87)93-67-74(65-89-76(81)59-51-43-37-36-41-49-57-71(8)10-2)95-78(83)61-53-45-34-28-24-20-19-21-25-30-38-46-54-68(3)4/h68-74,79H,9-67H2,1-8H3,(H,84,85)(H,86,87)/t70?,71?,72-,73-,74-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:70]([CH3:7])[CH2:56][CH2:48][CH2:40][CH2:32][CH2:26][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:23][CH2:27][CH2:33][CH2:44][CH2:52][CH2:60][C:77](=[O:82])[O:94][C@H:73]([CH2:64][O:88][C:75]([CH2:58][CH2:50][CH2:42][CH2:35][CH2:29][CH2:31][CH2:39][CH2:47][CH2:55][CH:69]([CH3:5])[CH3:6])=[O:80])[CH2:66][O:92][P:96]([OH:84])(=[O:85])[O:90][CH2:62][C@H:72]([CH2:63][O:91][P:97]([OH:86])(=[O:87])[O:93][CH2:67][C@@H:74]([CH2:65][O:89][C:76]([CH2:59][CH2:51][CH2:43][CH2:37][CH2:36][CH2:41][CH2:49][CH2:57][CH:71]([CH3:8])[CH2:10][CH3:2])=[O:81])[O:95][C:78]([CH2:61][CH2:53][CH2:45][CH2:34][CH2:28][CH2:24][CH2:20][CH2:19][CH2:21][CH2:25][CH2:30][CH2:38][CH2:46][CH2:54][CH:68]([CH3:3])[CH3:4])=[O:83])[OH:79]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0